From owner-nwchem-users@emsl.pnl.gov Tue Apr 10 18:57:34 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id l3B1vXI1020947 for ; Tue, 10 Apr 2007 18:57:34 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l3B1vXfh020946 for nwchem-users-outgoing-0915; Tue, 10 Apr 2007 18:57:33 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: No_SBRS X-Ironport-SBRS: None X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: Ao8CANDcG0Y+TAcc/2dsb2JhbAChDg X-IronPort-AV: i="4.14,392,1170662400"; d="scan'208"; a="27644734:sNHT21610407" From: "Alex Voit" To: Subject: RE: [NWCHEM]Failed TCE Date: Wed, 11 Apr 2007 12:57:28 +1100 MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit X-Mailer: Microsoft Office Outlook, Build 11.0.6353 In-Reply-To: <20070326120321.o4dr9ygrcws8swws@webmail.cct.lsu.edu> Thread-Index: Acdv02GfYmbI+oxUQBeOH76Ry92OdwMB4I0g X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2900.3028 Message-Id: <20070411015715.50F70125CF3@chemi.ich.dvo.ru> Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi. When I run nwchem 5.0 on Linux-cluster and nwchem failed (for example, convergence failed) processes on other nodes are running and never finish. I have to kill them manually.My compilator is ifort on em64t, network - gigabit ethernet, both openmpi or TCG. Thanks in advance, Alex Voit